HCID 68497857, 화합물 → HCID 68499319, 화합물

반응식

[Br:38][CH2:39][c:40]1[cH:41][c:42]([O:50][CH2:51][CH2:52][CH2:53][O:54][CH3:55])[c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]1.[OH:1][CH:2]1[CH2:3][N:4]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][O:18][CH2:19][c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1>>[O:1]([CH:2]1[CH2:3][N:4]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][O:18][CH2:19][c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1)[CH2:39][c:40]1[cH:41][c:42]([O:50][CH2:51][CH2:52][CH2:53][O:54][CH3:55])[c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]1

참가 물질

반응물 2

HCID 68497857HCID 68497857, 화합물

HCID 68499596Benzyl 3-hydroxy-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

생성물 1

HCID 68499319HCID 68499319, 화합물

출처 및 근거

ORD 기록: ord-96e5b17ecf9a41438085508f2d216cfd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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